⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL5070077 | 0.63 | — | — | |
| SCHEMBL5896888 | 0.58 | CYP2D6 (0.34) | — | |
| SCHEMBL5748187 | 0.57 | CYP3A4 (0.36) | — | |
| SCHEMBL31143203 | 0.56 | CYP3A4 (0.49) | — | |
| SCHEMBL5897337 | 0.56 | CYP3A4 (0.35) | — | |
| SCHEMBL22605402 | 0.55 | ALDH1A1 (0.46) | — | |
| SCHEMBL22605433 | 0.54 | OPRM1 (0.41) | — | |
| SCHEMBL20898698 | 0.53 | USP2 (0.38) | — | |
| SCHEMBL25633193 | 0.53 | USP2 (0.35) | — | |
| SCHEMBL24962364 | 0.53 | NPSR1 (0.34) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7091211-B2 | Cyclopentyl modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2006-08-15 | — | — | US | disclosed |
| US-20050070609-A1 | Cyclopentyl modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. | 2005-03-31 | — | — | US | disclosed |